Correlation effects in hydrogen‐bonded polymer blends

1993 ◽  
Vol 99 (11) ◽  
pp. 9272-9278 ◽  
Author(s):  
Boris Veytsman ◽  
Paul Painter
1992 ◽  
Vol 25 (10) ◽  
pp. 2619-2623 ◽  
Author(s):  
Lei Jong ◽  
Eli M. Pearce ◽  
T. K. Kwei ◽  
W. A. Hamilton ◽  
G. S. Smith ◽  
...  

Polymer ◽  
1996 ◽  
Vol 37 (21) ◽  
pp. 4753-4761 ◽  
Author(s):  
Michael M. Coleman ◽  
George J. Pehlert ◽  
Xiaoming Yang ◽  
John B. Stallman ◽  
Paul C. Painter

1994 ◽  
Vol 27 (24) ◽  
pp. 7139-7145 ◽  
Author(s):  
Dorab E. Bhagwagar ◽  
Paul C. Painter ◽  
Michael M. Coleman

1985 ◽  
Vol 63 (7) ◽  
pp. 1562-1567 ◽  
Author(s):  
Henryk T. Flakus ◽  
Russell J. Boyd

Extensive abinitio molecular orbital calculations are reported for the hydrogen bonded complexes of the formula [Formula: see text] and, [Formula: see text] where m = 0, 1, 2, and 3. The one-proton ("linear") hydrogen bonded complexes of the ammonium ions and hydrogen fluoride are predicted to be more stable by about 1 or 2 kcal/mol than the two- and three-proton ("bent") complexes. Several systematic trends and a number of differences between the neutral and protonated series of complexes are observed. The basis set dependence of the results, basis set superposition errors and electron correlation effects are discussed.


1995 ◽  
Vol 27 (1) ◽  
pp. 10-20 ◽  
Author(s):  
A Sanchis ◽  
M G Prolongo ◽  
R G Rubio ◽  
R M Masegosa

ChemInform ◽  
2006 ◽  
Vol 37 (50) ◽  
Author(s):  
Michael M. Coleman ◽  
Paul C. Painter

1992 ◽  
Vol 25 (25) ◽  
pp. 6770-6774 ◽  
Author(s):  
Lei Jong ◽  
Eli M. Pearce ◽  
T. K. Kwei ◽  
W. A. Hamilton ◽  
G. S. Smith ◽  
...  

1989 ◽  
Vol 161 (6) ◽  
pp. 532-538 ◽  
Author(s):  
Małgorzata M. Szczȩśniak ◽  
Grzegorz Chałasiński

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